Mass2Motif: motif_107

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: None

Short Annotation: None

Mass2Motif Details

The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.9523151532218329. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.

Feature Probability MAGMA Substructure Annotation
fragment_311.2500 0.647
fragment_312.2500 0.111
loss_119.1500 0.040
loss_98.6500 0.014
fragment_728.4500 0.013
loss_119.3500 0.013
loss_121.1500 0.012
fragment_269.4500 0.011
fragment_726.4500 0.011
fragment_730.5500 0.010
fragment_309.2500 0.010
fragment_727.4500 0.008
loss_126.6500 0.008
fragment_704.5500 0.008
loss_117.1500 0.006
fragment_313.3500 0.005
loss_118.1500 0.004
fragment_202.4500 0.003
fragment_309.1500 0.003
loss_172.2500 0.002
fragment_68.9500 0.002
fragment_128.9500 0.001
loss_116.1500 0.001
loss_129.1500 0.001
fragment_301.2500 0.001
fragment_189.1500 0.001
fragment_283.2500 0.001
fragment_158.9500 0.001
loss_120.1500 0.001
fragment_69.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 62 100 100 0
Organooxygen compound 61 98.4 95.3 3.1
Organic nitrogen compound 29 46.8 55.6 8.9
Organonitrogen compound 28 45.2 54.1 9.0
Organopnictogen compound 23 37.1 45.2 8.1
Benzenoid 23 37.1 18.3 18.7
Azacycle 12 19.4 22.6 3.3
Aromatic heteropolycyclic compound 10 16.1 9.6 6.5
Alcohol 6 9.7 14.7 5.0
Carbonyl group 4 6.5 44.0 37.6
Oxacycle 3 4.8 7.9 3.1
Heteroaromatic compound 3 4.8 5.8 0.9
Organoheterocyclic compound 3 4.8 13.3 8.5
Secondary alcohol 2 3.2 7.7 4.5
Acetal 2 3.2 1.5 1.8
1-hydroxy-2-unsubstituted benzenoid 1 1.6 1.3 0.3
Oxane 1 1.6 1.9 0.3
Carboxylic acid ester 1 1.6 1.8 0.2

Counts of Mass2Motif Features

Two bar plots will appear below this message. The first shows the proportion of the total intensity of these features explained by this Mass2Motif. Red bars show the total intensity (across the whole dataset), blue bars show the proportion explained by the selected Mass2Motif. The second shows the number of times each feature in this Mass2Motif appears in the documents associated with this Mass2Motif.

Fragmentation Spectra Explained by Mass2Motif

The following table lists all fragmentation spectra that are explained by this Mass2Motif at the threshold specified in the experiment option.

Fragmentation spectra Precursor Mass Parent mass Annotation Probability Overlap Score
document_890 430.4510 430.4510 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.813 0.814
document_877 430.3870 430.3870 None 0.812 0.710
document_901 430.4020 430.4020 None 0.745 0.688
document_5928 1431.5950 1431.5950 None 0.677 0.066
document_880 430.3870 430.3870 None 0.531 0.781
document_885 430.3870 430.3870 ReSpect:PS087410 Vitexin|Vitx|apigenin-8-C-glucoside|8-beta-D-Glucopyranosyl-apigenin|Orientoside 0.510 0.781
document_883 430.3880 430.3880 None 0.509 0.663
document_8 400.3760 400.3760 None 0.497 0.759
document_888 430.3870 430.3870 None 0.496 0.646
document_874 430.6510 430.6510 None 0.492 0.662
document_11 400.3770 400.3770 None 0.488 0.778
document_882 430.3870 430.3870 None 0.486 0.758
document_6 400.3770 400.3770 None 0.481 0.784
document_881 430.3870 430.3870 None 0.472 0.781
document_12 400.3770 400.3770 None 0.472 0.770
document_876 430.3870 430.3870 None 0.469 0.756
document_9 400.3760 400.3760 None 0.466 0.773
document_892 430.3890 430.3890 None 0.462 0.756
document_886 430.3880 430.3880 None 0.462 0.758
document_878 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.462 0.764
document_875 430.3860 430.3860 None 0.452 0.672
document_895 430.3890 430.3890 None 0.451 0.759
document_870 430.3860 430.3860 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.450 0.761
document_751 428.3690 428.3690 None 0.449 0.759
document_887 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.440 0.759
document_871 430.3880 430.3880 None 0.437 0.759
document_1390 452.2740 452.2740 None 0.430 0.757
document_873 430.3900 430.3900 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.430 0.763
document_896 430.3900 430.3900 None 0.423 0.766
document_879 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.405 0.785
document_1391 452.2720 452.2720 None 0.375 0.760
document_5 400.4830 400.4830 None 0.374 0.761
document_884 430.3870 430.3870 None 0.365 0.763
document_741 429.3010 429.3010 None 0.355 0.760
document_14 400.3800 400.3800 None 0.340 0.653
document_15 400.3790 400.3790 None 0.337 0.651
document_497 419.7530 419.7530 None 0.283 0.022
document_869 430.3870 430.3870 None 0.257 0.760
document_868 430.5390 430.5390 None 0.248 0.648
document_891 430.3880 430.3880 None 0.246 0.648
document_889 430.7120 430.7120 None 0.223 0.764
document_872 430.3870 430.3870 None 0.196 0.649
document_897 430.5840 430.5840 None 0.189 0.760
document_3199 597.4800 597.4800 None 0.189 0.758
document_854 430.3710 430.3710 None 0.169 0.648
document_894 430.7560 430.7560 None 0.156 0.759
document_769 430.7840 430.7840 None 0.149 0.759
document_742 428.8320 428.8320 None 0.144 0.759
document_766 429.3500 429.3500 None 0.128 0.648
document_5693 864.7290 864.7290 None 0.117 0.759
document_2344 513.3300 513.3300 None 0.114 0.758
document_899 430.8490 430.8490 None 0.092 0.759
document_3333 612.4300 612.4300 None 0.085 0.647
document_4177 689.1730 689.1730 None 0.083 0.648
document_3315 610.5870 610.5870 ReSpect:PT212210 Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)|Cy 3-Soph|cyanidin-3-sophoroside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-di 0.080 0.649
document_342 413.2580 413.2580 None 0.074 0.647
document_975 430.9130 430.9130 None 0.070 0.758
document_7 400.4120 400.4120 None 0.069 0.765
document_1735 474.2550 474.2550 None 0.065 0.758
document_963 430.9130 430.9130 None 0.064 0.648
document_913 430.9100 430.9100 None 0.063 0.648
document_851 430.4580 430.4580 None 0.060 0.803

Fragmentation Spectra Plot

The fragmentation spectra of molecules explained by this Mass2Motif are plotted below. Features (fragments and losses) explained by this Mass2Motif will be coloured red, while parent ion is coloured in blue. Click Next and Previous to cycle through the fragmentation spectra.